Bromine
- Formula: Br2
- Molecular weight: 159.808
- IUPAC Standard InChIKey: GDTBXPJZTBHREO-UHFFFAOYSA-N
- CAS Registry Number: 7726-95-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Br2; Brom; Brome; Bromo; Broom; UN 1744; Dibromine
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Condensed phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 36.379 ± 0.072 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
MS - José A. Martinho Simões
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1 to 50
C8H6MoO3 (cr) + (solution) = (solution) + (cr)
By formula: C8H6MoO3 (cr) + Br2 (solution) = HBr (solution) + C8H5BrMoO3 (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -35.8 ± 2.8 | kcal/mol | N/A | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; The reaction enthalpy was calculated Nolan, López de la Vega, et al., 1986 from the experimental values for the enthalpies of the following reactions: Mo(Cp)(CO)3(H)(cr) + 2Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + HBr(solution) + CO(solution), -60.7 ± 2.0 kcal/mol, and Mo(Cp)(CO)3(Br)(cr) + Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + CO(solution), -24.9 ± 2.0 kcal/mol; MS |
C16H10Mo2O6 (cr) + (solution) = 2 (cr)
By formula: C16H10Mo2O6 (cr) + Br2 (solution) = 2C8H5BrMoO3 (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -42.2 ± 4.1 | kcal/mol | N/A | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; The reaction enthalpy was calculated Nolan, López de la Vega, et al., 1986 from the experimental values for the enthalpies of the following reactions: [Mo(Cp)(CO)3]2(cr) + 3Br2(solution) = 2Mo(Cp)(CO)2(Br)3(solution) + 2CO(solution), -92.0 ± 1.0 kcal/mol, and Mo(Cp)(CO)3(Br)(cr) + Br2(solution) = Mo(Cp)(CO)2(Br)3(solution) + CO(solution), -24.9 ± 2.0 kcal/mol; MS |
By formula: Br- + Br2 = (Br- • Br2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.4 ± 1.7 | kcal/mol | CIDT | Nizzi, Pommerening, et al., 1998 | gas phase; B |
ΔrH° | 33.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe-; ; ΔS(EA)=5.8; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.50 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe-; ; ΔS(EA)=5.8; B |
By formula: C4H8 + Br2 = C4H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.90 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
ΔrH° | -29.44 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.59 ± 0.20 kcal/mol; At 355 °K; ALS |
By formula: C4H8 + Br2 = C4H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.95 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.08 ± 0.20 kcal/mol; At 355 °K; ALS |
By formula: C2H4 + Br2 = C2H4Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.90 ± 0.30 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.06 ± 0.30 kcal/mol; At 355 °K; ALS |
By formula: C3H6 + Br2 = C3H6Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.27 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.41 ± 0.20 kcal/mol; At 355 °K; ALS |
By formula: HBr + C7H7Br = C7H8 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.1 ± 1.0 | kcal/mol | Eqk | Benson and Buss, 1957 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 8.0 ± 0.9 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.10 ± 0.10 | kcal/mol | Eqk | Dunning and Pritchard, 1972 | gas phase; ALS |
ΔrH° | 1.0 ± 0.1 | kcal/mol | Eqk | Schumacher and Bergmann, 1931 | gas phase; ALS |
(l) + 3 (l) = Br3In (cr) + 3 (g)
By formula: C3H9In (l) + 3Br2 (l) = Br3In (cr) + 3CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -159.0 ± 1.0 | kcal/mol | RSC | Clarke and Price, 1968 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
By formula: C2H6Hg (l) + 2Br2 (l) = 2CH3Br (g) + Br2Hg (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -72.20 ± 0.60 | kcal/mol | RSC | Hartley, Pritchard, et al., 1950 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(l) + (g) = (l) + C3H9BrSn (l)
By formula: C10H16Sn (l) + Br2 (g) = C7H7Br (l) + C3H9BrSn (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -54.2 ± 0.2 | kcal/mol | RSC | Pedley and Skinner, 1959 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(l) + (g) = C3H9BrSn (l) + (g)
By formula: C4H12Sn (l) + Br2 (g) = C3H9BrSn (l) + CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -48.30 ± 0.69 | kcal/mol | RSC | Pedley, Skinner, et al., 1957 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
C8H6MoO3 (cr) + 2 (solution) = C7H5Br3MoO2 (solution) + (solution) + (solution)
By formula: C8H6MoO3 (cr) + 2Br2 (solution) = C7H5Br3MoO2 (solution) + HBr (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -60.7 ± 2.0 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; MS |
By formula: C3H4O4 + Br2 = HBr + C3H3BrO4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -15.8 ± 0.69 | kcal/mol | Cm | Koros, Orban, et al., 1979 | liquid phase; solvent: Sulfuric acid (1M); Bromination; ALS |
(l) + (l) = 2C3H9BrSn (l)
By formula: C6H18Sn2 (l) + Br2 (l) = 2C3H9BrSn (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -70.24 ± 0.50 | kcal/mol | RSC | Pedley, Skinner, et al., 1957 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
C16H10Mo2O6 (cr) + 3 (solution) = 2C7H5Br3MoO2 (solution) + 2 (solution)
By formula: C16H10Mo2O6 (cr) + 3Br2 (solution) = 2C7H5Br3MoO2 (solution) + 2CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -92.0 ± 1.0 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; MS |
By formula: HBr + C3H5BrO = C3H6O + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 ± 2.0 | kcal/mol | Eqk | King, Golden, et al., 1971 | gas phase; Heat of bromination at 516-618 K; ALS |
(cr) + (solution) = C7H5Br3MoO2 (solution) + (solution)
By formula: C8H5BrMoO3 (cr) + Br2 (solution) = C7H5Br3MoO2 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -24.9 ± 2.0 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Carbon tetrachloride; MS |
C12H7MnO5 (cr) + 1.5 (g) = (g) + (cr) + 5 (g)
By formula: C12H7MnO5 (cr) + 1.5Br2 (g) = C7H7Br (g) + Br2Mn (cr) + 5CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -46.5 ± 1.9 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: Br2 + C8H14 = C8H14Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.310 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
C6F3MnO5 (cr) + 1.5 (g) = (cr) + 5 (g) + (g)
By formula: C6F3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CBrF3 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -41.3 ± 0.7 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
C7F3MnO6 (cr) + 1.5 (g) = (cr) + 6 (g) + (g)
By formula: C7F3MnO6 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 6CO (g) + CBrF3 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38.6 ± 0.5 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: C6H10 + Br2 = C6H10Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.630 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
By formula: C7H12 + Br2 = C7H12Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.44 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
+ = C7H14Br2
By formula: C7H14 + Br2 = C7H14Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.24 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
By formula: C5H8 + Br2 = C5H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.61 ± 0.60 | kcal/mol | Cm | Lister, 1941 | gas phase; Halogenation at 27 C; ALS |
(cr) + 1.5 (g) = (cr) + 5 (g) + (g)
By formula: C6H3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -50.0 ± 0.7 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
(cr) + 1.5 (g) = (cr) + 6 (g) + (g)
By formula: C7H3MnO6 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 6CO (g) + CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38. ± 1. | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: C7H7Br + 0.5H2 = C7H8 + 0.5Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.9 ± 0.5 | kcal/mol | Chyd | Ashcroft, Carson, et al., 1963 | liquid phase; ALS |
C10H22Mg (cr) + (g) + (l) = 2 (l) + Br2Mg (cr)
By formula: C10H22Mg (cr) + H2 (g) + Br2 (l) = 2C5H12 (l) + Br2Mg (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -160.0 ± 1.6 | kcal/mol | RSC | Akkerman, Schat, et al., 1983 | MS |
By formula: C2F4 + Br2 = C2Br2F4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38.48 | kcal/mol | Cm | Lacher, Casali, et al., 1956 | gas phase; Heat of bromination; ALS |
By formula: 2C6H5Br + Br2Hg = C12H10Hg + 2Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.53 ± 0.80 | kcal/mol | Cm | Chernick, Skinner, et al., 1956 | liquid phase; ALS |
(cr) + 2 (g) = 2 (cr) + 10 (g)
By formula: C10Mn2O10 (cr) + 2Br2 (g) = 2Br2Mn (cr) + 10CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -63.0 ± 2.0 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: H2 + 2CH3Br = 2CH4 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.6 ± 0.6 | kcal/mol | Chyd | Adams, Carson, et al., 1966 | liquid phase; ALS |
By formula: C4H8 + Br2 = C4H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.18 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; At 355 °K; ALS |
By formula: C5H10 + Br2 = C5H10Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.40 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; At 355 °K; ALS |
By formula: C5H6O4 + Br2 = C5H6O4 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.2 ± 0.2 | kcal/mol | Eqk | Jwo, Huang, et al., 1987 | solid phase; HPLC; ALS |
By formula: Br2 + C2ClF3 = C2Br2ClF3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -31.61 | kcal/mol | Cm | Lacher, Casali, et al., 1956 | gas phase; Heat of bromination; ALS |
By formula: Br3- + Br2 = (Br3- • Br2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.1 ± 1.7 | kcal/mol | CIDT | Nizzi, Pommerening, et al., 1998 | gas phase; B |
By formula: C5BrMnO5 (cr) + 0.5Br2 (g) = Br2Mn (cr) + 5CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.4 ± 0.43 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 | MS |
By formula: H2 + 2C2H5Br = 2C2H6 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.6 ± 3.0 | kcal/mol | Chyd | Ashcroft, Carson, et al., 1965 | liquid phase; ALS |
By formula: CHCl3 + Br2 = HBr + CBrCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.4 ± 0.1 | kcal/mol | Eqk | Mendenhall, Golden, et al., 1973 | gas phase; ALS |
By formula: CH2F2 + Br2 = HBr + CHBrF2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.54 ± 0.07 | kcal/mol | Eqk | Okafo and Whittle, 1974 | gas phase; ALS |
By formula: CCl4 + Br2 = BrCl + CBrCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 ± 0.3 | kcal/mol | Eqk | Mendenhall, Golden, et al., 1973 | gas phase; ALS |
By formula: CHF3 + Br2 = HBr + CBrF3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.3 | kcal/mol | Eqk | Corbett, Tarr, et al., 1963 | gas phase; At 298 K; ALS |
By formula: CHBr3 + Br2 = HBr + CBr4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.7 ± 0.7 | kcal/mol | Eqk | King, Golden, et al., 1971, 2 | gas phase; ALS |
By formula: HBr + CBrF3 = CHF3 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.59 ± 0.25 | kcal/mol | Eqk | Coomber and Whittle, 1967 | gas phase; ALS |
By formula: CH4 + Br2 = HBr + CH3Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.3 ± 0.2 | kcal/mol | Eqk | Ferguson, Okafo, et al., 1973 | gas phase; ALS |
By formula: C4H8Br2 = C4H8 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.40 ± 0.11 | kcal/mol | Cm | Sunner and Wulff, 1974 | liquid phase; ALS |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to Br2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.517 ± 0.003 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.42002 | ECD | Ayala, Wentworth, et al., 1981 | Vertical Detachment Energy: 1.60 eV; B |
2.60 ± 0.20 | NBIE | Dispert and Lacmann, 1977 | B |
2.62 ± 0.20 | Endo | Hughes, Lifschitz, et al., 1973 | B |
2.55 ± 0.10 | NBIE | Baeda, 1972 | B |
2.51 ± 0.10 | Endo | Chupka, Berkowitz, et al., 1971 | B |
2.87 ± 0.14 | EIAE | DeCorpo and Franklin, 1971 | From CBr4; B |
1.470 ± 0.050 | NBIE | Hubers, Kleyn, et al., 1976 | Stated electron affinity is the Vertical Detachment Energy; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.518 ± 0.003 | TE | Yencha, Hopkirk, et al., 1995 | LL |
10.516 ± 0.005 | TE | Ruscic and Berkowitz, 1994 | LL |
10.51 ± 0.02 | PI | Monks, Stief, et al., 1994 | LL |
10.5 ± 0.3 | EI | Lau and Hildenbrand, 1987 | LBLHLM |
10.515 ± 0.005 | PE | Van Lonkhuyzen and De Lange, 1984 | LBLHLM |
10.55 | PE | Kimura, Katsumata, et al., 1981 | LLK |
10.52 | EVAL | Huber and Herzberg, 1979 | LLK |
10.8 ± 0.2 | EI | Kaposi, Popovic, et al., 1977 | LLK |
10.51 ± 0.01 | PE | Potts and Price, 1971 | LLK |
10.7 ± 0.1 | EI | DeCorpo and Franklin, 1971 | LLK |
10.51 | PE | Cornford, Frost, et al., 1971 | LLK |
10.52 ± 0.01 | PI | Dibeler, Walker, et al., 1970 | RDSH |
10.56 ± 0.01 | S | Venkateswarlu, 1968 | RDSH |
10.51 | PE | Dyke, Josland, et al., 1984 | Vertical value; LBLHLM |
10.57 | PE | Utsunomiya, Kobayashi, et al., 1976 | Vertical value; LLK |
10.92 | PE | Utsunomiya, Kobayashi, et al., 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
Br+ | 10.48 ± 0.02 | Br- | PI | Morrison, Hurzeler, et al., 1960 | RDSH |
Br+ | 10.38 ± 0.05 | Br- | EI | Frost and McDowell, 1960 | RDSH |
Br+ | 10.31 | Br- | PI | Watanabe, 1957 | RDSH |
Anion protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 323.540 ± 0.050 | kcal/mol | D-EA | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1; B |
ΔrH° | 323.4 ± 2.1 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase; B |
ΔrH° | 320.60 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 318.30 ± 0.15 | kcal/mol | H-TS | Blondel, Cacciani, et al., 1989 | gas phase; reported: 27129.170±0.015 cm-1; B |
ΔrG° | 318.2 ± 2.0 | kcal/mol | IMRE | Taft and Bordwell, 1988 | gas phase; B |
ΔrG° | 315.40 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; F-; ; ΔS(acid)=19.2; ΔS(EA)=6.4; B |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Nolan, López de la Vega, et al., 1986
Nolan, S.P.; López de la Vega, R.; Hoff, C.D.,
J. Organometal. Chem., 1986, 315, 187. [all data]
Nizzi, Pommerening, et al., 1998
Nizzi, K.E.; Pommerening, C.A.; Sunderlin, L.S.,
Gas-phase thermochemistry of polyhalide anions,
J. Phys. Chem. A, 1998, 102, 39, 7674-7679, https://doi.org/10.1021/jp9824508
. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Lister, 1941
Lister, M.W.,
Heats of organic reactions. X. Heats of bromination of cyclic olefins,
J. Am. Chem. Soc., 1941, 63, 143-149. [all data]
Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,
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Bond dissociation energies from equilibrium studies. Part 5.-The equilibria Br2 + CH2F2 = HBr + CHF2Br and Br2 + CH3F = HBr + CH2FBr. Determination of D(CHF2-Br) and ΔH°f (CHF2Br,g),
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Bond dissociation energies from equilibrium studies. Part 1.-D(CF3-Br), D(C2F5-Br) and D(n-C3F7-Br),
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Ferguson, Okafo, et al., 1973
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Chemiionization in alkali-halogen reactions: Evidence for ion formation by alkali dimers,
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Baeda, 1972
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The adiabatic electron affinities of Cl2, Br2, I2, IBr, NO2, and O2,
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DeCorpo and Franklin, 1971
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Hubers, Kleyn, et al., 1976
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Potts and Price, 1971
Potts, A.W.; Price, W.C.,
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Cornford, Frost, et al., 1971
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Threshold for molecular photoionization of bromine,
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Vacuum ultraviolet spectrum of bromine molecule,
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The ionization and dissociation of some halogen molecules by electron impact,
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Ionization potentials of some molecules,
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Notes
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- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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